3-Phenyl-5-(2-phenylethynyl)-2,1-benzoxazole
TL;DR: 3-Phenyl-5-(2-phenylethynyl)-2,1-benzoxazole (CAS 170378-65-1) is a chemical compound with molecular formula C21H13NO and molecular weight 295.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenyl-5-(2-phenylethynyl)-2,1-benzoxazole
Also Known As: 3-phenyl-5-(2-phenylethynyl)-2,1-benzoxazole, DivK1c_004958, CDS1_003918, 3-Phenyl-5-(phenylethynyl)anthranil, 3-phenyl-5-(phenylethynyl)benzo[c]isoxazole
| Molecular Formula | C21H13NO |
|---|---|
| Molecular Weight | 295.10 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 295.0997 |
| Heavy Atoms | 23 |
| Complexity | 449.0 |
Chemical Identifiers
| CAS Number | 170378-65-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)C#CC2=CC3=C(ON=C3C=C2)C4=CC=CC=C4 |
| InChIKey | HUTUQHZMEWMGAD-UHFFFAOYSA-N |
Product Overview
3-Phenyl-5-(2-phenylethynyl)-2,1-benzoxazole (CAS 170378-65-1), with molecular formula C21H13NO and molecular weight 295.10 g/mol. IUPAC: 3-phenyl-5-(2-phenylethynyl)-2,1-benzoxazole.
Chemical Property Profile of 3-Phenyl-5-(2-phenylethynyl)-2,1-benzoxazole
Property Insights of 3-Phenyl-5-(2-phenylethynyl)-2,1-benzoxazole
The XLogP value of 5.4 indicates that 3-Phenyl-5-(2-phenylethynyl)-2,1-benzoxazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.0 Ų, 3-Phenyl-5-(2-phenylethynyl)-2,1-benzoxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Phenyl-5-(2-phenylethynyl)-2,1-benzoxazole has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Phenyl-5-(2-phenylethynyl)-2,1-benzoxazole?
The CAS number of 3-Phenyl-5-(2-phenylethynyl)-2,1-benzoxazole is 170378-65-1.
What is the molecular formula of 3-Phenyl-5-(2-phenylethynyl)-2,1-benzoxazole?
The molecular formula of 3-Phenyl-5-(2-phenylethynyl)-2,1-benzoxazole is C21H13NO.
What is the molecular weight of 3-Phenyl-5-(2-phenylethynyl)-2,1-benzoxazole?
The molecular weight of 3-Phenyl-5-(2-phenylethynyl)-2,1-benzoxazole is 295.10 g/mol.
Where can I buy 3-Phenyl-5-(2-phenylethynyl)-2,1-benzoxazole?
You can request a quote for 3-Phenyl-5-(2-phenylethynyl)-2,1-benzoxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Phenyl-5-(2-phenylethynyl)-2,1-benzoxazole?
Yes, KEHONG BIO provides custom synthesis services for 3-Phenyl-5-(2-phenylethynyl)-2,1-benzoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.